Information card for entry 7001264

Structure parameters

• Formula: C26 H29 I3 O3 U
• Calculated formula: C26 H29 I3 O3 U
• SMILES: [U](I)(I)(I)(Oc1c(c2ccccc2)cccc1c1ccccc1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Reactivity of UI4(OEt2)2 with phenols: probing the chemistry of the U‒I bond
• Authors of publication: Schnaars, David D.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3681 - 3687
• a: 19.332 ± 0.007 Å
• b: 12.547 ± 0.004 Å
• c: 24.785 ± 0.009 Å
• α: 90°
• β: 106.953 ± 0.005°
• γ: 90°
• Cell volume: 5751 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No